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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2018/Cr2Zn/230 Geometry_OptizationSpivak, MarianoADF; 2013; 01Geometry optimizationDFTTZP; DZP-20.83346606; Eh
thumbnail.jpeg14-May-2019/1-4 CF-U2-quintetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.77048399; Eh
thumbnail.jpeg14-May-2019/1-4 CF-U2-singletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.77048399; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-nonetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88017463; Eh
thumbnail.jpeg11-Dec-2017C72ClMoreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-23.17910328; Eh
thumbnail.jpeg11-Dec-2017C72Cl2Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-23.28218781; Eh
thumbnail.jpeg7-May-2019Three_MIAAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--4971.229641937674; nonsi:hartree
thumbnail.jpeg7-May-2019Two_MIAAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--4184.239268424509; nonsi:hartree
thumbnail.jpeg7-May-2019Three_MIAzmani, KhalidMopac; 2016; 16.093L 64BITSGeometry optimizationPM6--1391.3746755632349; nonsi:hartree
thumbnail.jpeg14-May-2019/1-2 CF-U2-tripletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88471036; Eh
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